From a6fa9b1fb67efb9a10dd97bb1f7a153cf27b0981 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Sun, 16 Nov 2014 18:24:20 +0100
Subject: [PATCH] Added AO_basis_name.t

---
 ocaml/Input_ao_basis.ml    | 12 +++++-------
 ocaml/qptypes_generator.ml |  3 +++
 2 files changed, 8 insertions(+), 7 deletions(-)

diff --git a/ocaml/Input_ao_basis.ml b/ocaml/Input_ao_basis.ml
index 0e61dc54..502ab0dc 100644
--- a/ocaml/Input_ao_basis.ml
+++ b/ocaml/Input_ao_basis.ml
@@ -4,7 +4,7 @@ open Core.Std;;
 
 module Ao_basis : sig
   type t = 
-    { ao_basis        : string ;
+    { ao_basis        : AO_basis_name.t;
       ao_num          : AO_number.t ;
       ao_prim_num     : AO_prim_number.t array;
       ao_prim_num_max : AO_prim_number.t;
@@ -20,7 +20,7 @@ module Ao_basis : sig
   val to_rst : t -> Rst_string.t
 end = struct
   type t = 
-    { ao_basis        : string ;
+    { ao_basis        : AO_basis_name.t;
       ao_num          : AO_number.t ;
       ao_prim_num     : AO_prim_number.t array;
       ao_prim_num_max : AO_prim_number.t;
@@ -34,10 +34,8 @@ end = struct
   let get_default = Qpackage.get_ezfio_default "ao_basis";;
 
   let read_ao_basis () = 
-    if not (Ezfio.has_ao_basis_ao_basis ()) then
-       Ezfio.set_ao_basis_ao_basis ""
-    ;
     Ezfio.get_ao_basis_ao_basis ()
+    |> AO_basis_name.of_string
   ;;
 
   let read_ao_num () =
@@ -171,7 +169,7 @@ Basis set ::
 %s
 ======= ========= ===========
 
-" b.ao_basis
+" (AO_basis_name.to_string b.ao_basis)
     (Basis.to_string short_basis 
      |> String.split ~on:'\n'
      |> List.map ~f:(fun x-> "  "^x)
@@ -213,7 +211,7 @@ ao_coef         = %s
 ao_expo         = %s
 md5             = %s
 "
-    b.ao_basis
+    (AO_basis_name.to_string b.ao_basis)
     (AO_number.to_string b.ao_num)
     (b.ao_prim_num |> Array.to_list |> List.map
       ~f:(AO_prim_number.to_string) |> String.concat ~sep:", " )
diff --git a/ocaml/qptypes_generator.ml b/ocaml/qptypes_generator.ml
index 14eee88f..a625dade 100644
--- a/ocaml/qptypes_generator.ml
+++ b/ocaml/qptypes_generator.ml
@@ -100,6 +100,9 @@ let input_data = "
 
 * Rst_string : string
 
+* AO_basis_name : string
+  assert (x <> \"\") ;
+
 "
 ;;